(1S,2R,5S,6R,7R)-2-N-cyclohexyl-6-N-(4-methylphenyl)-3-[(4-methylphenyl)methyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide
AlkaPlorer ID: AK338470
Synonym: None
IUPAC Name: (1S,2R,5S,6R,7R)-2-N-cyclohexyl-6-N-(4-methylphenyl)-3-[(4-methylphenyl)methyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide
Structure
SMILES: CC1=CC=C(CN2C(=O)[C@H]3[C@@H](C(=O)NC4=CC=C(C)C=C4)[C@H]4C=C[C@@]3(O4)[C@@H]2C(=O)NC2CCCCC2)C=C1
InChI: InChI=1S/C31H35N3O4/c1-19-8-12-21(13-9-19)18-34-27(29(36)33-22-6-4-3-5-7-22)31-17-16-24(38-31)25(26(31)30(34)37)28(35)32-23-14-10-20(2)11-15-23/h8-17,22,24-27H,3-7,18H2,1-2H3,(H,32,35)(H,33,36)/t24-,25+,26-,27+,31+/m1/s1
InChIKey: AXOFFKZXVCATLN-YQXAMQIPSA-N
Reference
Antiprotozoal Steroidal Saponins from the Marine Sponge <i>Pandaros acanthifolium</i>
PubChem CID: 92376599
Source
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Properties Information
Molecule Weight: 513.6380000000004
TPSA？: 87.74000000000001
MolLogP？: 4.041640000000003
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 6
Activities Information
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